N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide

C17H15BrN2O — CID 122138076

IUPACN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide
SMILESO=C(NC1C2CCc3ccccc3C21)c1ccncc1Br
InChIInChI=1S/C17H15BrN2O/c18-14-9-19-8-7-12(14)17(21)20-16-13-6-5-10-3-1-2-4-11(10)15(13)16/h1-4,7-9,13,15-16H,5-6H2,(H,20,21)
InChIKeyVVEZWAYTRAJWRI-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.30
Rot. Bonds2

About N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide

N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide (PubChem CID 122138076) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide
PubChem CID122138076
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide
SMILESO=C(NC1C2CCc3ccccc3C21)c1ccncc1Br
InChIInChI=1S/C17H15BrN2O/c18-14-9-19-8-7-12(14)17(21)20-16-13-6-5-10-3-1-2-4-11(10)15(13)16/h1-4,7-9,13,15-16H,5-6H2,(H,20,21)
InChIKeyVVEZWAYTRAJWRI-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
CID 154840149
N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 124620483
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-methyl-3-oxopropanoic acid
CID 122065770
1-[(1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-3-(5-cyano-2-pyridinyl)urea
CID 21356030
1-[2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120552283
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 154840806
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3-dihydroxybenzamide
CID 124625638
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103863026
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931

Frequently Asked Questions

What is the IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide?
The IUPAC name of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide (CID 122138076) is N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide.
What is the SMILES notation for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide?
The canonical SMILES for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide is O=C(NC1C2CCc3ccccc3C21)c1ccncc1Br.
What is the InChIKey of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide?
The InChIKey is VVEZWAYTRAJWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-14-9-19-8-7-12(14)17(21)20-16-13-6-5-10-3-1-2-4-11(10)15(13)16/h1-4,7-9,13,15-16H,5-6H2,(H,20,21).
What are the key properties of N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide?
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-bromopyridine-4-carboxamide is sourced from PubChem (CID 122138076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).